Monomers

Phosphonic acid, (1-bromoethenyl)-, diethyl ester

Identifiers

IUPAC name
1-bromo-1-diethoxyphosphorylethene
InchI
InChI=1S/C6H12BrO3P/c1-4-9-11(8,6(3)7)10-5-2/h3-5H2,1-2H3
InchI Key
SQMBBBWHQORDNI-UHFFFAOYSA-N
SMILES
CCOP(=O)(C(=C)Br)OCC
Canonical SMILES
CCOP(=O)(C(=C)Br)OCC
Isomeric SMILES
CCOP(=O)(C(=C)Br)OCC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H12BrO3P
Heavy Atom Count
11
Molecular Weight
243.037
Exact Molecular Weight
241.9707
Valence Electrons
66
Radical Electrons
0
tPSA
35.53
MolLogP
3.1186
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.0746    1.3196    1.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0213    0.7134    0.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448    0.1720    1.3434 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2170   -0.5506    0.5426 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.3418   -0.7518    1.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1761   -2.1529   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0252   -2.4946   -1.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8688   -3.4641    1.0721 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8225    0.4044   -0.7102 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2287    0.3781   -0.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    1.2279   -1.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2694    2.3897    1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0023    0.7056    1.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7348    1.3187    2.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4611    0.0269   -0.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5809    1.5575   -0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3632   -1.7785   -2.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2791   -3.4738   -1.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6175   -0.6601   -0.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5386    0.7690    0.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6166   -2.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9039    1.6311   -2.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3356    2.0959   -1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  7 17  1  0
  7 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers